[5-(4-benzamido-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2-ethyl-oxolan-3-yl]methyl-(2-cyanoethoxy)-oxidanylidene-phosphanium

Systemtic Name: [5-(4-benzamido-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2-ethyl-oxolan-3-yl]methyl-(2-cyanoethoxy)-oxidanylidene-phosphanium Openeye Name: [5-(4-benzamido-5-methyl-2-oxo-pyrimidin-1-yl)-2-ethyl-tetrahydrofuran-3-yl]methyl-(2-cyanoethoxy)-oxo-phosphonium CAS Name: [5-(4-benzamido-5-methyl-2-oxo-1-pyrimidinyl)-2-ethyl-3-oxolanyl]methyl-(2-cyanoethoxy)-oxophosphonium IUPAC Name: [5-(4-benzamido-5-methyl-2-oxopyrimidin-1-yl)-2-ethyloxolan-3-yl]methyl-(2-cyanoethoxy)-oxophosphanium Traditional Name: [5-(4-benzamido-2-keto-5-methyl-pyrimidin-1-yl)-2-ethyl-tetrahydrofuran-3-yl]methyl-(2-cyanoethoxy)-keto-phosphonium Formula: C22H26N4O5P+ MolecularWeight: 457.439401

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC(O1)N2C=C(C(=NC2=O)NC(=O)C3=CC=CC=C3)C)C[P+](=O)OCCC#N

Isomeric SMILES

CCC1C(CC(O1)N2C=C(C(=NC2=O)NC(=O)C3=CC=CC=C3)C)C[P+](=O)OCCC#N

InChI

InChI=1S/C22H25N4O5P/c1-3-18-17(14-32(29)30-11-7-10-23)12-19(31-18)26-13-15(2)20(25-22(26)28)24-21(27)16-8-5-4-6-9-16/h4-6,8-9,13,17-19H,3,7,11-12,14H2,1-2H3/p+1